N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide

C15H15FN2O — CID 81481324

IUPACN-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(N)cc2)c1F
InChIInChI=1S/C15H15FN2O/c1-10-3-2-4-13(14(10)16)15(19)18-9-11-5-7-12(17)8-6-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyDRKZHBTYINCQDX-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.65
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide

N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide (PubChem CID 81481324) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
PubChem CID81481324
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(N)cc2)c1F
InChIInChI=1S/C15H15FN2O/c1-10-3-2-4-13(14(10)16)15(19)18-9-11-5-7-12(17)8-6-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyDRKZHBTYINCQDX-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80718402
N-[(4-aminophenyl)methyl]-3-methyl-2-nitrobenzamide
CID 116649925
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
CID 79214611
N-[(3-carbamothioylphenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481451
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzamide
CID 107984081
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide (CID 81481324) is N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NCc2ccc(N)cc2)c1F.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide?
The InChIKey is DRKZHBTYINCQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-3-2-4-13(14(10)16)15(19)18-9-11-5-7-12(17)8-6-11/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide?
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide has a molecular weight of 258.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 81481324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).